3-氨基-4-苯基吡唑

  • 基本信息
  • 物化性质
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

3-氨基-4-苯基吡唑 基本信息

中文名称:
3-氨基-4-苯基吡唑 
中文别名:
3-氨基-4-苯基-1H-吡唑;
3-氨基-4-苯基吡唑 
英文名称:
1H-Pyrazol-3-amine,4-phenyl-
英文别名:
4-PHENYL-1H-PYRAZOL-3-YLAMINE;
skf1572;
4-Phenylpyrazol-3-amine;
3(or5)-amino-4-phenyl-pyrazol;
4-Phenyl-1H-pyrazol-3-amine;
4-(4-nitrophenyl)-1H-pyrazol-3-amine;
USAF EL-34;
3-AMINO-4-PHENYLPYRAZOLE;
3(5)-amino-4-phenyl-1H-pyrazole;
3-amino-4-phenyl-1H-pyrazol;
3-AMINO-4-PHENYL-1H-PYRAZOLE;
5-Amino-4-phenyl-1H-pyrazole;
4-phenyl-1h-pyrazol-4-amin;
3-amino-4-phenyl-pyrazol 
CAS No.:
5591-70-8
分 子 式:
C9H9N3
分 子 量:
159.19
精确分子量:
159.08000
PSA:
54.70000
InChI:
The Key: QEHKQNYBBLCFIJ-UHFFFAOYSA-N
风险术语:
22-36/37/38
分子结构式:
SDS:
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3-氨基-4-苯基吡唑 物化性质

密度:
1.238g/cm3
沸点:
394.4ºC at 760mmHg
闪点:
220.9ºC
存储条件/存储方法:

 避光,阴凉干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.     溶解性:未确定

3-氨基-4-苯基吡唑 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6104000
CHEMICAL NAME :
Pyrazole, 3-amino-4-phenyl-
CAS REGISTRY NUMBER :
5591-70-8
LAST UPDATED :
199803
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N3
MOLECULAR WEIGHT :
159.21
WISWESSER LINE NOTATION :
T5MNJ CZ DR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,259,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
毒理学数据:

急性毒性:

1.大鼠口服最低剂量LDLo400mg/kg,毒性作用的描述没有报告除此以外的其他致死剂量值。

2. 大鼠静脉LD50180mg/kg,行为会改变睡眠时间(包括对变化的反射),会有嗜睡的行为(普通抑郁行为)以及肌肉无力的行为。

3.大鼠腹膜LD50200 mg/kg,毒性作用的描述没有报告除此以外的其他致死剂量值。

生态数据:

该物质对环境可能有危害,对水体应给予特别注意

3-氨基-4-苯基吡唑 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      3-Amino-4-phenyl-1h-pyrazole    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H302:        Harmful if swallowed    
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing

Section 3. Composition/information on ingredients.
    Ingredient name:        3-Amino-4-phenyl-1h-pyrazole    
    CAS number:        5591-70-8    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, refrigerated.    

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not specified    
    No data
    Boiling point:
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C9H9N3
    Molecular weight: 159.2

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-氨基-4-苯基吡唑 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:47.60

2   摩尔体积m3/mol128.5

3   等张比容(90.2K):360.2

4   表面张力dyne/cm61.6

5   极化率10-24cm318.87

计算化学数据

1、   疏水参数计算参考值(XlogP):1.5

2、   氢键供体数量:2

3、   氢键受体数量:2

4、   可旋转化学键数量:1

5、   互变异构体数量:5

6、   拓扑分子极性表面积(TPSA):54.7

7、   重原子数量:12

8、   表面电荷:0

9、   复杂度:143

10、   同位素原子数量:0

11、   确定原子立构中心数量:0

12、   不确定原子立构中心数量:0

13、   确定化学键立构中心数量:0

14、   不确定化学键立构中心数量:0

15、   共价键单元数量:1

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南京百安迈生物医药科技有限公司

产品介绍:
产品名称:3-氨基-4-苯基-1H-吡唑 Cas号:5591-70-8 纯度: 包装信息:洽谈 价格:洽谈
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